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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dihydroorotate dehydrogenase (quinone), mitochondrial | ||
| Ligand | BDBM581512 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | In Vitro Assay: DHODH Enzymatic Assay | ||
| IC50 | 0.286±n/a nM | ||
| Citation |  Kuduk, S; Zhang, Z; DeRatt, L; Wang, A Dihydroorotate dehydrogenase inhibitors US Patent US11505536 Publication Date 11/22/2022 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Dihydroorotate dehydrogenase (quinone), mitochondrial | |||
| Name: | Dihydroorotate dehydrogenase (quinone), mitochondrial | ||
| Synonyms: | DHODH | DHOdehase | Dihydroorotate dehydrogenase | Dihydroorotate dehydrogenase (DHODH) | Dihydroorotate dehydrogenase, mitochondrial | Dihydroorotate oxidase | Dihydroorotate oxidase (DHODH) | PYRD_HUMAN | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 42881.33 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q02127 | ||
| Residue: | 395 | ||
| Sequence: |
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| BDBM581512 | |||
| n/a | |||
| Name | BDBM581512 | ||
| Synonyms: | 2-(5-Chloro-3-methyl-1H-pyrazol-4-yl)-6-(4-ethyl-3-(hydroxymethyl)-5-oxo-4,5- dihydro-1H-1,2,4-triazol-1-yl)-7-fluoro-4-(prop-1-en-2-yl)isoquinolin-1(2H)-one | US11505536, Example 60 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H20ClFN6O3 | ||
| Mol. Mass. | 458.873 | ||
| SMILES | CCn1c(CO)nn(-c2cc3c(cn(-c4c(C)n[nH]c4Cl)c(=O)c3cc2F)C(C)=C)c1=O |(7.66,2.17,;6.75,.93,;5.22,1.09,;4.45,2.42,;5.08,3.83,;4.17,5.07,;2.94,2.1,;2.78,.57,;1.45,-.2,;.12,.57,;-1.22,-.2,;-2.55,.57,;-3.89,-.2,;-3.89,-1.74,;-5.22,-2.51,;-6.63,-1.88,;-6.95,-.38,;-7.66,-3.03,;-6.89,-4.36,;-5.38,-4.04,;-4.24,-5.07,;-2.55,-2.51,;-2.55,-4.05,;-1.22,-1.74,;.12,-2.51,;1.45,-1.74,;2.78,-2.51,;-2.55,2.11,;-1.22,2.88,;-3.89,2.88,;4.19,-.06,;4.51,-1.56,)| | ||
| Structure | 
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